2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole

C16H21FN2O2 — CID 154947071

IUPAC2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole
SMILESCCOc1ccc2nc(OC3CCCCC3)n(C)c2c1F
InChIInChI=1S/C16H21FN2O2/c1-3-20-13-10-9-12-15(14(13)17)19(2)16(18-12)21-11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3
InChIKeyUOXHLBYJFOAIHV-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.82
Rot. Bonds4

About 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole

2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole (PubChem CID 154947071) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole
PubChem CID154947071
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole
SMILESCCOc1ccc2nc(OC3CCCCC3)n(C)c2c1F
InChIInChI=1S/C16H21FN2O2/c1-3-20-13-10-9-12-15(14(13)17)19(2)16(18-12)21-11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3
InChIKeyUOXHLBYJFOAIHV-UHFFFAOYSA-N
XLogP3.82
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole
CID 154946956
2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole
CID 154946896
N-[(2S)-1-[4-(6-ethoxy-5,7-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497819
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
7-chloro-2-cyclohexyloxy-6-cyclopropyloxy-1,4-dimethylimidazo[4,5-c]pyridine
CID 154947111
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
N-[(2R)-1-[[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]methoxy]-3-fluoropropan-2-yl]acetamide
CID 163786451
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
N-[(2S)-1-[4-(5-chloro-6-ethoxy-4-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497814
1-cyclobutyloxy-4-cyclopropyloxy-2-fluoro-3-methylbenzene
CID 158177850

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole (CID 154947071) is 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole is CCOc1ccc2nc(OC3CCCCC3)n(C)c2c1F.
What is the InChIKey of 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole?
The InChIKey is UOXHLBYJFOAIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-20-13-10-9-12-15(14(13)17)19(2)16(18-12)21-11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole?
2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole has a molecular weight of 292.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 154947071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).